3-[(4-bromobenzoyl)amino]-4-methyl-N-[(3S)-piperidin-3-yl]benzamide

C20H22BrN3O2 — CID 91646526

IUPAC3-[(4-bromobenzoyl)amino]-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
SMILESCc1ccc(C(=O)N[C@H]2CCCNC2)cc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H22BrN3O2/c1-13-4-5-15(20(26)23-17-3-2-10-22-12-17)11-18(13)24-19(25)14-6-8-16(21)9-7-14/h4-9,11,17,22H,2-3,10,12H2,1H3,(H,23,26)(H,24,25)/t17-/m0/s1
InChIKeyWUCWGFLKQNDFPJ-KRWDZBQOSA-N
MW416.32 g/mol
LogP3.49
Rot. Bonds4

About 3-[(4-bromobenzoyl)amino]-4-methyl-N-[(3S)-piperidin-3-yl]benzamide

3-[(4-bromobenzoyl)amino]-4-methyl-N-[(3S)-piperidin-3-yl]benzamide (PubChem CID 91646526) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 3-[(4-bromobenzoyl)amino]-4-methyl-N-[(3S)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-[(4-bromobenzoyl)amino]-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
PubChem CID91646526
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC Name3-[(4-bromobenzoyl)amino]-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
SMILESCc1ccc(C(=O)N[C@H]2CCCNC2)cc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H22BrN3O2/c1-13-4-5-15(20(26)23-17-3-2-10-22-12-17)11-18(13)24-19(25)14-6-8-16(21)9-7-14/h4-9,11,17,22H,2-3,10,12H2,1H3,(H,23,26)(H,24,25)/t17-/m0/s1
InChIKeyWUCWGFLKQNDFPJ-KRWDZBQOSA-N
XLogP3.49
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
N-(azepan-3-yl)-5-bromo-2-methylbenzamide
CID 65311485
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634
3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454037
1-(4-bromophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55964791
3-methyl-4-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866634
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromobenzoyl)amino]-4-methyl-N-[(3S)-piperidin-3-yl]benzamide?
The IUPAC name of 3-[(4-bromobenzoyl)amino]-4-methyl-N-[(3S)-piperidin-3-yl]benzamide (CID 91646526) is 3-[(4-bromobenzoyl)amino]-4-methyl-N-[(3S)-piperidin-3-yl]benzamide.
What is the SMILES notation for 3-[(4-bromobenzoyl)amino]-4-methyl-N-[(3S)-piperidin-3-yl]benzamide?
The canonical SMILES for 3-[(4-bromobenzoyl)amino]-4-methyl-N-[(3S)-piperidin-3-yl]benzamide is Cc1ccc(C(=O)N[C@H]2CCCNC2)cc1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromobenzoyl)amino]-4-methyl-N-[(3S)-piperidin-3-yl]benzamide?
The InChIKey is WUCWGFLKQNDFPJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c1-13-4-5-15(20(26)23-17-3-2-10-22-12-17)11-18(13)24-19(25)14-6-8-16(21)9-7-14/h4-9,11,17,22H,2-3,10,12H2,1H3,(H,23,26)(H,24,25)/t17-/m0/s1.
What are the key properties of 3-[(4-bromobenzoyl)amino]-4-methyl-N-[(3S)-piperidin-3-yl]benzamide?
3-[(4-bromobenzoyl)amino]-4-methyl-N-[(3S)-piperidin-3-yl]benzamide has a molecular weight of 416.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromobenzoyl)amino]-4-methyl-N-[(3S)-piperidin-3-yl]benzamide is sourced from PubChem (CID 91646526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).